1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine

C16H23NS — CID 43497176

IUPAC1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1csc2ccccc12
InChIInChI=1S/C16H23NS/c1-3-5-9-15(17-11-4-2)14-12-18-16-10-7-6-8-13(14)16/h6-8,10,12,15,17H,3-5,9,11H2,1-2H3
InChIKeyLKCQCAXFUXJXGV-UHFFFAOYSA-N
MW261.43 g/mol
LogP5.13
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine

1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine (PubChem CID 43497176) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
PubChem CID43497176
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1csc2ccccc12
InChIInChI=1S/C16H23NS/c1-3-5-9-15(17-11-4-2)14-12-18-16-10-7-6-8-13(14)16/h6-8,10,12,15,17H,3-5,9,11H2,1-2H3
InChIKeyLKCQCAXFUXJXGV-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
CID 115806692
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
N-[1-(1-benzothiophen-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997505
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
3-(1-bromo-2-ethylhexyl)-1-benzothiophene
CID 63441043
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine (CID 43497176) is 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine is CCCCC(NCCC)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine?
The InChIKey is LKCQCAXFUXJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-3-5-9-15(17-11-4-2)14-12-18-16-10-7-6-8-13(14)16/h6-8,10,12,15,17H,3-5,9,11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine?
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 43497176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).